8FI2

Structure of Lettuce C20T bound to DFHBI-1T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-24
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.105
Spacegroup name	P 21 21 21
Unit cell lengths	24.841, 44.565, 119.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.730 - 3.000
R-factor	0.2487
Rwork	0.244
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8fhv
RMSD bond length	0.004
RMSD bond angle	0.694
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.760	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.174	0.563
Number of reflections	3969	393
<I/σ(I)>	10.7	1
Completeness [%]	99.0
Redundancy	10.5
CC(1/2)	0.998	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.05 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 30% (v/v) polyethylene glycol monoethyl ether 550